Lista de

molecular model
100
"Fine Tuning of Functional Features of the Cu A Site by Loop-Directed Mutagenesis" (2019) Zitare, U.A.;Szuster, J.;Santalla, M.C. (...)Murgida, D.H. Inorganic Chemistry. 58(3):2149-2157
"Cyclase-associated protein 1 (CAP1) is a prenyl-binding partner of Rap1 GTPase" (2018) Zhang, X.;Cao, S.;Barila, G. (...)Altschuler, D.L. Journal of Biological Chemistry. 293(20)
"Studies of 4-arylthiazolylhydrazones derived from 1-indanones as Trypanosoma cruzi squalene epoxidase inhibitors by molecular simulations" (2018) Noguera, G.J.; Fabian, L.E.; Lombardo, E.; Finkielsztein, L.M. Organic and Biomolecular Chemistry. 16(44):8525-8536
"Electropore Formation in Mechanically Constrained Phospholipid Bilayers" (2018) Fernández, M.L.; Risk, M.R.; Vernier, P.T. Journal of Membrane Biology. 251(2):237-245
"Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra" (2018) Jorge, S.E.;Bringas, M.;Petruk, A.A. (...)Estrin, D. Archives of Biochemistry and Biophysics. 637:73-78
"Mechanism of Sulfide Binding by Ferric Hemeproteins" (2018) Boubeta, F.M.;Bieza, S.A.;Bringas, M. (...)Bari, S.E. Inorganic Chemistry. 57(13):7591-7600
"Proposed molecular model for electrostatic interactions between insulin and chitosan. Nano-complexation and activity in cultured cells" (2018) Silva, C.P.;Martínez, J.H.;Martínez, K.D. (...)Pérez, O.E. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 537:425-434
"Lipase-catalyzed acetylation and esterification of bile acids" (2018) Baldessari, A.; García Liñares, G. Methods in Molecular Biology. 1835:337-350
"Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis" (2018) Defelipe, L.A.; Osman, F.; Marti, M.A.; Turjanski, A.G. Biochemical and Biophysical Research Communications. 498(2):288-295
"Short linear motif core and flanking regions modulate retinoblastoma protein binding affinity and specificity" (2018) Palopoli, N.; Foutel, N.S.G.; Gibson, T.J.; Chemes, L.B. Protein Engineering, Design and Selection. 31(3):69-77
"Chemoenzymatic synthesis of new derivatives of glycyrrhetinic acid with antiviral activity. Molecular docking study" (2018) Zígolo, M.A.;Salinas, M.;Alché, L. (...)Liñares, G.G. Bioorganic Chemistry. 78:210-219
"Co-imaging extrinsic, intrinsic and effector caspase activity by fluorescence anisotropy microscopy" (2018) Corbat, A.A.;Schuermann, K.C.;Liguzinski, P. (...)Grecco, H.E. Redox Biology. 19:210-217
"Oxidation at C-16 enhances butyrylcholinesterase inhibition in lupane triterpenoids" (2018) Castro, M.J.; Richmond, V.; Faraoni, M.B.; Murray, A.P. Bioorganic Chemistry. 79:301-309
"N-glycosylation Triggers a Dual Selection Pressure in Eukaryotic Secretory Proteins" (2017) Medus, M.L.;Gomez, G.E.;Zacchi, L.F. (...)Caramelo, J.J. Scientific Reports. 7(1)
"Differential contribution of subunit interfaces to α9α10 nicotinic acetylcholine receptor function" (2017) Boffi, J.C.;Marcovich, I.;Gill-Thind, J.K. (...)Elgoyhen, A.B. Molecular Pharmacology. 91(3):250-262
"Inferring repeat-protein energetics from evolutionary information" (2017) Espada, R.;Parra, R.G.;Mora, T. (...)Ferreiro, D.U. PLoS Computational Biology. 13(6)
"Synthesis of β-galactosylamides as ligands of the peanut lectin. Insights into the recognition process" (2017) Cano, M.E.;Varela, O.;García-Moreno, M.I. (...)Uhrig, M.L. Carbohydrate Research. 443-444:58-67
"Preliminary spectrum of genetic variants in familial hypercholesterolemia in Argentina" (2017) Bañares, V.G.;Corral, P.;Medeiros, A.M. (...)Schreier, L.E. Journal of Clinical Lipidology. 11(2):524-531
"Evidence of natural interspecific recombinant viruses between bovine alphaherpesviruses 1 and 5" (2017) Maidana, S.S.;Craig, P.O.;Craig, M.I. (...)Romera, S.A. Virus Research. 242:122-130
"Application of Z-sinapinic matrix in peptide MALDI-MS analysis" (2017) Salum, M.L.;Giudicessi, S.L.;Schmidt De León, T. (...)Erra-Balsells, R. Journal of Mass Spectrometry. 52(3):182-186
"Hidden Structural Codes in Protein Intrinsic Disorder" (2017) Borkosky, S.S.;Camporeale, G.;Chemes, L.B. (...)De Prat Gay, G. Biochemistry. 56(41):5560-5569
"Exhaustive rotamer search of the 4C1 conformation of α- and β-D-galactopyranose" (2017) Del Vigo, E.A.; Marino, C.; Stortz, C.A. Carbohydrate Research. 448:136-147
"Fluorinated oxysterol analogues: Synthesis, molecular modelling and LXRβ activity" (2017) Rodriguez, C.R.;Alvarez, L.D.;Dansey, M.V. (...)Burton, G. Journal of Steroid Biochemistry and Molecular Biology. 165:268-276
"21-hydroxy-6,19-epoxyprogesterone: A promising therapeutic agent and a molecular tool for deciphering glucocorticoid action" (2016) Pecci, A.; Alvarez, L.D.; Presman, D.M.; Burton, G. Mini-Reviews in Medicinal Chemistry. 16
"Evolutionary and Functional Relationships in the Truncated Hemoglobin Family" (2016) Bustamante, J.P.;Radusky, L.;Boechi, L. (...)Martí, M.A. PLoS Computational Biology. 12(1)
"Mechanism of the Reaction of Human Manganese Superoxide Dismutase with Peroxynitrite: Nitration of Critical Tyrosine 34" (2016) Demicheli, V.;Moreno, D.M.;Jara, G.E. (...)Radi, R. Biochemistry. 55(24):3403-3417
"Two rhodamine 6G derivative compounds: A structural and fluorescence single-crystal study" (2016) Di Paolo, M.; Bossi, M.L.; Baggio, R.; Suarez, S.A. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 72:684-692
"PEST Control of Molecular Stripping of NFκB from DNA Transcription Sites" (2016) Potoyan, D.A.;Zheng, W.;Ferreiro, D.U. (...)Komives, E.A. Journal of Physical Chemistry B. 120(33):8532-8538
"Coarse-grained simulations of heme proteins: Validation and study of large conformational transitions" (2016) Ramírez, C.L.;Petruk, A.;Bringas, M. (...)Capece, L. Journal of Chemical Theory and Computation. 12(7):3390-3397
"Selective pressure against horizontally acquired prokaryotic genes as a driving force of plastid evolution" (2016) Llorente, B.;De Souza, F.S.J.;Soto, G. (...)Rodríguez-Concepción, M. Scientific Reports. 6
"Regulation of signaling directionality revealed by 3D snapshots of a kinase: Regulator complex in action" (2016) Trajtenberg, F.;Imelio, J.A.;Machado, M.R. (...)Buschiazzo, A. eLife. 5(DECEMBER2016)
"Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase" (2016) Oliveira Udry, G.A.; Repetto, E.; Vega, D.R.; Varela, O. Journal of Organic Chemistry. 81(10):4179-4189
"Structure-based activity prediction of CYP21A2 stability variants: A survey of available gene variations" (2016) Bruque, C.D.;Delea, M.;Fernández, C.S. (...)Dain, L. Scientific Reports. 6
"The PKA regulatory subunit from yeast forms a homotetramer: Low-resolution structure of the N-terminal oligomerization domain" (2016) González Bardeci, N.;Caramelo, J.J.;Blumenthal, D.K. (...)Moreno, S. Journal of Structural Biology. 193(2):141-154
"Exploring the molecular basis of action of ring D aromatic steroidal antiestrogens" (2015) Alvarez, L.D.; Veleiro, A.S.; Burton, G. Proteins: Structure, Function and Bioinformatics. 83(7):1297-1306
"Capturing coevolutionary signals inrepeat proteins" (2015) Espada, R.;Parra, R.G.;Mora, T. (...)Ferreiro, D.U. BMC Bioinformatics. 16(1)
"Protein Topology Determines Cysteine Oxidation Fate: The Case of Sulfenyl Amide Formation among Protein Families" (2015) Defelipe, L.A.;Lanzarotti, E.;Gauto, D. (...)Turjanski, A.G. PLoS Computational Biology. 11(3)
"Enzymatic synthesis of bile acid derivatives and biological evaluation against Trypanosoma cruzi" (2015) García Liñares, G.;Antonela Zígolo, M.;Simonetti, L. (...)Baldessari, A. Bioorganic and Medicinal Chemistry. 23(15):4804-4814
"A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies" (2015) Marrero, R.;Limardo, R.R.;Carrillo, E. (...)Turjanski, A.G. Journal of Immunological Methods. 425:51-57
"Structural and Energetic Characterization of the Ankyrin Repeat Protein Family" (2015) Parra, R.G.; Espada, R.; Verstraete, N.; Ferreiro, D.U. PLoS Computational Biology. 11(12)
"Identification of novel cyclic nucleotide binding proteins in Trypanosoma cruzi" (2014) Jäger, A.V.;De Gaudenzi, J.G.;Mild, J.G. (...)Edreira, M.M. Molecular and Biochemical Parasitology. 198(2):104-112
"Preparation, anticholinesterase activity and molecular docking of new lupane derivatives" (2014) Castro, M.J.;Richmond, V.;Romero, C. (...)Murray, A.P. Bioorganic and Medicinal Chemistry. 22(13):3341-3350
"27-Nor-Δ4-dafachronic acid is a synthetic ligand of Caenorhabditis elegans DAF-12 receptor" (2013) Samaja, G.A.;Castro, O.;Alvarez, L.D. (...)Burton, G. Bioorganic and Medicinal Chemistry Letters. 23(10):2893-2896
"Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): Structural and computational study" (2013) Rudzka, K.;Moreno, D.M.;Eipper, B. (...)Amzel, L.M. Journal of Biological Inorganic Chemistry. 18(2):223-232
"Coupling between transcription and alternative splicing" (2013) Schor, I.E.; Gómez Acuña, L.I.; Kornblihtt, A.R.; Wu J.Y. Cancer Treatment and Research. 158:1-24
"pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pKas: The Case of Nitrophorin 4" (2012) Di Russo, N.V.; Estrin, D.A.; Martí, M.A.; Roitberg, A.E. PLoS Computational Biology. 8(11)
"Size-controlled nanopores in lipid membranes with stabilizing electric fields" (2012) Fernández, M.L.; Risk, M.; Reigada, R.; Vernier, P.T. Biochemical and Biophysical Research Communications. 423(2):325-330
"The Caenorhabditis elegans DAF-12 nuclear receptor: Structure, dynamics, and interaction with ligands" (2012) Alvarez, L.D.; Mañez, P.A.; Estrin, D.A.; Burton, G. Proteins: Structure, Function and Bioinformatics. 80(7):1798-1809
"Perturbation of Chromatin Structure Globally Affects Localization and Recruitment of Splicing Factors" (2012) Schor, I.E.;Llères, D.;Risso, G.J. (...)Kornblihtt, A.R. PLoS ONE. 7(11)
"A two-stage model for lipid modulation of the activity of integral membrane proteins" (2012) Dodes Traian, M.M.; Cattoni, D.I.; Levi, V.; González Flecha, F.L. PLoS ONE. 7(6)
"In vitro effects of both dopaminergic and enkephalinergic antagonists on the ovarian growth of Cherax quadricarinatus (Decapoda, Parastacidae), at different periods of the reproductive cycle" (2011) Cahansky, A.V.; Medesani, D.A.; Chaulet, A.; Rodríguez, E.M. Comparative Biochemistry and Physiology - A Molecular and Integrative Physiology. 158(1):126-131
"Structural basis for ligand recognition in a mushroom lectin: Solvent structure as specificity predictor" (2011) Gauto, D.F.;Di Lella, S.;Estrin, D.A. (...)Martí, M.A. Carbohydrate Research. 346(7):939-948
"Biological activity and ligand binding mode to the progesterone receptor of A-homo analogues of progesterone" (2011) Alvarez, L.D.;Dansey, M.V.;Martí, M.A. (...)Burton, G. Bioorganic and Medicinal Chemistry. 19(5):1683-1691
"Inclusion complex of 2-chlorobenzophenone with cyclomaltoheptaose (β-cyclodextrin): Temperature, solvent effects and molecular modeling" (2011) Sancho, M.I.; Gasull, E.; Blanco, S.E.; Castro, E.A. Carbohydrate Research. 346(13):1978-1984
"The structure of calreticulin C-terminal domain is modulated by physiological variations of calcium concentration" (2010) Giraldo, A.M.V.;Medus, M.L.;Lebrero, M.G. (...)Caramelo, J.J. Journal of Biological Chemistry. 285(7):4544-4553
"Predictive modeling of the total deactivation rate constant of singlet oxygen by heterocyclic compounds" (2009) Mercader, A.G.;Duchowicz, P.R.;Fernández, F.M. (...)Thomas, A.H. Journal of Molecular Graphics and Modelling. 28(1):12-19
"Typical 2-Cys peroxiredoxins - Modulation by covalent transformations and noncovalent interactions" (2009) Aran, M.; Ferrero, D.S.; Pagano, E.; Wolosiuk, R.A. FEBS Journal. 276(9):2478-2493
"PKA from Mucor circinelloides: Model to study the role of linker I in the interaction between R and C subunits" (2007) Ocampo, J.; Moreno, S.; Rossi, S. Biochemical and Biophysical Research Communications. 362(3):721-726
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics" (2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"A sorbicillinoid urea from an intertidal Paecilomyces marquandii" (2006) Cabrera, G.M.;Butler, M.;Rodriguez, M.A. (...)Eberlin, M.N. Journal of Natural Products. 69(12):1806-1808
"mm3 Potential energy surfaces of trisaccharide models of λ-, μ-, and ν-carrageenans" (2006) Stortz, C.A. Carbohydrate Research. 341(15):2531-2542
"Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule" (2005) Ferraro, M.B.;Faglioni, F.;Ligabue, A. (...)Lazzeretti, P. Magnetic Resonance in Chemistry. 43(4):316-320
"Large-scale inhomogeneities in modified Chaplygin gas cosmologies" (2005) Chimento, L.P.; Lazkoz, R. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 615(3-4):146-152
"Protein interactions within the TcZFP zinc finger family members of Trypanosoma cruzi: Implications for their functions" (2005) Caro, F.;Bercovich, N.;Atorrasagasti, C. (...)Vázquez, M.P. Biochemical and Biophysical Research Communications. 333(3):1017-1025
"Quantum magnets with anisotropic infinite range random interactions" (2005) Arrachea, L.; Rozenberg, M.J. Biophysical Chemistry. 115(2-3 SPEC ISS):135-138
"Modeling ring puckering in strained systems: Application to 3,6-anhydroglycosides" (2005) Navarro, D.A.; Stortz, C.A. Carbohydrate Research. 340(12):2030-2038
"Effects of dissipation on disordered quantum spin models" (2004) Cugliandolo, L.F.; Grempel, D.R.; Lozano, G.; Lozza, H. Physical Review B - Condensed Matter and Materials Physics. 70(2):024422-1-024422-12
"Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study" (2004) De Kowalewski, D.G.;Díez, E.;Esteban, A.L. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 42(11):938-943
"Cadmium Uptake by Lignocellulosic Materials: Effect of Lignin Content" (2004) Basso, M.C.; Cerrella, E.G.; Cukierman, A.L. Separation Science and Technology. 39(5):1163-1175
"Mepyramine, a histamine H1 receptor inverse agonist, binds preferentially to a G protein-coupled form of the receptor and sequesters G protein" (2004) Fitzsimons, C.P.;Monczor, F.;Fernández, N. (...)Davio, C. Journal of Biological Chemistry. 279(33):34431-34439
"Effect of the polycation nature on the structure of layer-by-layer electrostatically self-assembled multilayers of polyphenol oxidase" (2003) Forzani, E.S.;López Teijelo, M.;Nart, F. (...)Solís, V.M. Biomacromolecules. 4(4):869-879
"Electronic mechanisms of intra and intermolecular J couplings in systemswith C-H⋯O interactions" (2003) Giribet, C.G.; Ruiz De Azua, M.C.; Vizioli, C.V.; Cavasotto, C.N. International Journal of Molecular Sciences. 4(4):203-217
"Spiranoid withanolides from Jaborosa odonelliana" (2002) Cirigliano, A.M.; Veleiro, A.S.; Oberti, J.C.; Burton, G. Journal of Natural Products. 65(7):1049-1051
"Special issue on recent advances in nuclear magnetic shielding theory" (2002) Ferraro, M.B. International Journal of Molecular Sciences. 3(8):856-857
"Alternative splicing: Multiple control mechanisms and involvement in human disease" (2002) Cáceres, J.F.; Kornblihtt, A.R. Trends in Genetics. 18(4):186-193
"Quintessence dissipative superattractor cosmology" (2001) Chimento, L.P.; Jakubi, A.S.; Zuccalâ, N.A. Physical Review D. 63(10)
"Hydrogen bonding and O2 affinity of hemoglobins [3]" (2001) Scherlis, D.A.; Estrin, D.A. Journal of the American Chemical Society. 123(34):8436-8437
"Antifungal diastereomeric furanones from Mutisia friesiana: Structural determination and conformational analysis" (2001) Viturro, C.I.; Maier, M.S.; Stortz, C.A.; De la Fuente, J.R. Tetrahedron Asymmetry. 12(7):991-998
"Withanolides from Salpichroa origanifolia" (2001) Tettamanzi, M.C.; Veleiro, A.S.; De la Fuente, J.R.; Burton, G. Journal of Natural Products. 64(6):783-786
"The anomalous metallic ferromagnetic state of Sr doped manganites" (2001) Ferrari, V.; Rozenberg, M.J.; Weht, R. Modern Physics Letters B. 15(23):1031-1040
"Interactions that define the alkylamine side-chain conformation in phenylalkylamine hallucinogens: An ab initio study" (2000) Taurian, O.E.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 504(1-3):119-126
"A model of structural disorder in (Ba2-Cu2-O4+x)/ (Ca-Cu-O2)n superlattices" (2000) Pasquini, G.;Balestrino, G.;Lavanga, S. (...)Tebano, A. International Journal of Modern Physics B. 14(25-27):2719-2724
"New withanolides from two varieties of Jaborosa caulescens" (2000) Nicotra, V.E.; Gil, R.R.; Oberti, J.C.; Burton, G. Molecules. 5(3):514-515
"Effects on bioactivity due to C-5 heteroatom substituents on synthetic 28-homobrassinosteroid analogs" (2000) Ramírez, J.A.; Gros, E.G.; Galagovsky, L.R. Tetrahedron. 56(34):6171-6180
"Withanolides from Vassobia lorentzii" (2000) Misico, R.I.;Gil, R.R.;Oberti, J.C. (...)Burton, G. Journal of Natural Products. 63(10):1329-1332
"Structural and functional analysis of the cAMP binding domain from the regulatory subunit of Mucor rouxii protein kinase A" (2000) Sorol, M.R.;Pastori, R.L.;Muro, A. (...)Rossi, S. Archives of Biochemistry and Biophysics. 382(2):173-181
"Total synthesis and conformational analysis of monophenyl substituted protoporphyrins IX" (2000) Robinsohn, A.E.; Maier, M.S.; Buldain, G.Y. Heterocycles. 53(10):2127-2142
"7-Hydroxywithanolides from Datura ferox" (1999) Veleiro, A.S.; Cirigliano, A.M.; Oberti, J.C.; Burton, G. Journal of Natural Products. 62(7):1010-1012
"A revised structure for (-)-dihydropertusaric acid, a γ-butyrolactone acid from the lichen Punctelia microsticta" (1999) Maier, M.S.; González Marimon, D.I.; Stortz, C.A.; Adler, M.T. Journal of Natural Products. 62(11):1565-1567
"New hydroxylated withanolides from Salpichroa origanifolia" (1998) Tettamanzi, M.C.; Veleiro, A.S.; Oberti, J.C.; Burton, G. Journal of Natural Products. 61(3):338-342
"Spiranoid withanolides from Jaborosa runcinata and Jaborosa araucana" (1996) Cirigliano, A.M.;Veleiro, A.S.;Bonetto, G.M. (...)Burton, G. Journal of Natural Products. 59(8):717-721